Cas no 55536-61-3 (1H-Imidazole, 4,5-dihydro-4-methyl-2-(methylthio)-)
55536-61-3 structure
Product Name:1H-Imidazole, 4,5-dihydro-4-methyl-2-(methylthio)-
CAS No:55536-61-3
MF:C5H10N2S
MW:130.211299419403
CID:351606
PubChem ID:12223283
Update Time:2025-04-19
1H-Imidazole, 4,5-dihydro-4-methyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 4,5-dihydro-4-methyl-2-(methylthio)-
- 5-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
- AKOS006376232
- 55536-61-3
- SCHEMBL21135541
- DTXSID40481192
- SCHEMBL7369971
-
- Inchi: 1S/C5H10N2S/c1-4-3-6-5(7-4)8-2/h4H,3H2,1-2H3,(H,6,7)
- InChI Key: VQFMGZKAYGRUSU-UHFFFAOYSA-N
- SMILES: S(C)C1=NCC(C)N1
Computed Properties
- Exact Mass: 130.0566
- Monoisotopic Mass: 130.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 111
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 24.39
1H-Imidazole, 4,5-dihydro-4-methyl-2-(methylthio)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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